Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 9/20 | 0.34 |
| ▸ | CA2 | P00918 | 9/20 | 0.34 |
| ▸ | CA9 | Q16790 | 8/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA7 | P43166 | 3/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.34 |
| ▸ | CA3 | P07451 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9720232 | 0.88 | CES2 (0.40) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL9720216 | 0.81 | MEN1 (0.59) | TSHRUSP2ALDH1A1LMNAMEN1 | |
| SCHEMBL863066 | 0.80 | TSHR (0.56) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL20895660 | 0.80 | TSHR (0.56) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL17307992 | 0.80 | TSHR (0.56) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL12589725 | 0.80 | TSHR (0.56) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL9999947 | 0.80 | TSHR (0.56) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL20145782 | 0.80 | TSHR (0.56) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL15923443 | 0.80 | TSHR (0.56) | TSHRKDM4EUSP2ALDH1A1LMNA | |
| SCHEMBL8913132 | 0.80 | TSHR (0.56) | TSHRKDM4EUSP2ALDH1A1LMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5081245-A | Selective antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-01-14 | — | — | US | disclosed |
| EP-0356765-A2 | Carboxylic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-03-07 | — | — | EP | disclosed |